⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL733311 | 0.96 | — | — | |
| SCHEMBL916800 | 0.96 | — | — | |
| Bromide SCHEMBL8837155 | 0.93 | — | — | |
| SCHEMBL28380951 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL693656 | 0.93 | — | — | |
| SCHEMBL25183744 | 0.93 | — | — | |
| Cyclopropane SCHEMBL11497951 | 0.93 | — | — | |
| SCHEMBL30505666 | 0.86 | — | — | |
| SCHEMBL30109421 | 0.86 | TSHR (0.33) | — | |
| SCHEMBL78277 | 0.86 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3271356-B1 | SELECTIVE BACE1 INHIBITORS | LILLY CO ELI (US) | 2019-10-16 | — | — | EP | disclosed |
| US-9938266-B2 | Selective BACE1 inhibitors | ELI LILLY AND COMPANY (US) | 2018-04-10 | — | — | US | disclosed |
| US-20180030044-A1 | SELECTIVE BACE1 INHIBITORS | Eli Lilly and Compny (US) | 2018-02-01 | — | — | US | disclosed |
| EP-3271356-A1 | SELECTIVE BACE1 INHIBITORS | Eli Lilly and Company (US) | 2018-01-24 | — | — | EP | disclosed |
| EP-3010925-B1 | BACE INHIBITORS | LILLY CO ELI (US) | 2017-10-04 | — | — | EP | disclosed |
| WO-2016149057-A1 | SELECTIVE BACE1 INHIBITORS | ELI LILLY AND COMPANY (US) | 2016-09-22 | — | — | WO | disclosed |
| EP-3010925-A1 | BACE INHIBITORS | Eli Lilly & Company (US) | 2016-04-27 | — | — | EP | disclosed |
| US-9169271-B2 | BACE inhibitors | ELI LILLY AND COMPANY (US) | 2015-10-27 | — | — | US | disclosed |
| US-20150210716-A1 | BACE INHIBITORS | LILLY CO ELI (US) | 2015-07-30 | — | — | US | disclosed |
| US-9029367-B2 | BACE inhibitors | ELI LILLY AND COMPANY (US) | 2015-05-12 | — | — | US | disclosed |
| WO-2014204730-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2014-12-24 | — | — | WO | disclosed |
| US-20140371212-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY | 2014-12-18 | — | — | US | disclosed |